ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010249
RECORD_TITLE: DIMETHYL CIS-3,3-DIMETHYL-2,3,4,5,6,7-HEXAHYDROINDEN-1(H)-ONE-5,6-DICARBOXYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KANEMASA S, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: DIMETHYL CIS-3,3-DIMETHYL-2,3,4,5,6,7-HEXAHYDROINDEN-1(H)-ONE-5,6-DICARBOXYLATE
CH$NAME: DIMETHYL (5R,6S)-3,3-DIMETHYL-2,3,4,5,6,7-HEXAHYDROINDEN-1(H)-ONE-5,6-DICARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₀O₅
CH$EXACT_MASS: 280.13107
CH$SMILES: COC(=O)[C@@]([H])(C1)[C@]([H])(C(=O)OC)CC(C(C)(C)2)=C(C(=O)C2)1
CH$IUPAC: InChI=1S/C15H20O5/c1-15(2)7-12(16)10-5-8(13(17)19-3)9(6-11(10)15)14(18)20-4/h8-9H,5-7H2,1-4H3/t8-,9+/m0/s1
CH$LINK: INCHIKEY PZZYXESBDRVCNH-DTWKUNHWSA-N
CH$LINK: PUBCHEM CID:13761180

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00dl-5950000000-22e63e8f97ac81fb16fc
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  38 5.63 56
  40 8.59 86
  42 71.1 711
  43 7.79 78
  58 14.96 150
  77 18.74 187
  78 8.48 85
  79 11.76 118
  91 16.31 163
  93 5.45 55
  105 18.85 189
  107 5.55 56
  117 5.29 53
  119 30.46 305
  120 4.78 48
  121 99.99 999
  122 9.88 99
  137 6.23 62
  145 6.99 70
  147 5 50
  161 57.58 576
  162 8.56 86
  163 5.04 50
  165 8.05 81
  180 15.91 159
  205 5.5 55
  208 15.55 156
  209 21.59 216
  220 13.71 137
  221 39.65 397
  222 8.13 81
  240 21.39 214
  249 13.86 139
  280 29.62 296
  281 5.26 53
//